USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 87 ASN : amide:sc= -0.305 K(o=-0.27,f=-7.8!) USER MOD Set 1.3: A 90 THR OG1 : rot 180:sc= 0.0317 USER MOD Set 2.1: A 83 SER OG : rot -150:sc= 1.29 USER MOD Set 2.2: A 85 THR OG1 : rot -19:sc= 0.456 USER MOD Set 2.3: A 86 THR OG1 : rot -178:sc= 1.08 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 69:sc= 0.73 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc=0.000222 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0547 USER MOD Single : A 19 THR OG1 : rot -86:sc= 0.936 USER MOD Single : A 25 SER OG : rot 170:sc= 0.0791 USER MOD Single : A 27 GLN : amide:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.579 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 50 ASN : amide:sc= -1.23 K(o=-1.2,f=-1.8) USER MOD Single : A 53 LYS NZ :NH3+ 144:sc= -0.0154 (180deg=-0.122) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.69 K(o=-0.69,f=-3.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.744 K(o=-0.74,f=-2.6) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.499 0.745 1.300 1.00 0.00 N ATOM 2 CA ALA A 1 2.071 0.549 -0.027 1.00 0.00 C ATOM 3 C ALA A 1 2.925 1.743 -0.438 1.00 0.00 C ATOM 4 O ALA A 1 2.450 2.878 -0.465 1.00 0.00 O ATOM 5 CB ALA A 1 0.968 0.310 -1.047 1.00 0.00 C ATOM 0 H1 ALA A 1 0.922 -0.082 1.555 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.265 0.861 1.994 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.901 1.596 1.298 1.00 0.00 H new ATOM 0 HA ALA A 1 2.715 -0.330 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.409 0.165 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.402 -0.579 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.301 1.172 -1.071 1.00 0.00 H new ATOM 11 N ILE A 2 4.188 1.479 -0.757 1.00 0.00 N ATOM 12 CA ILE A 2 5.108 2.533 -1.167 1.00 0.00 C ATOM 13 C ILE A 2 4.934 2.870 -2.644 1.00 0.00 C ATOM 14 O ILE A 2 4.613 2.002 -3.456 1.00 0.00 O ATOM 15 CB ILE A 2 6.573 2.131 -0.913 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.777 1.769 0.559 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.509 3.258 -1.322 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.486 0.317 0.870 1.00 0.00 C ATOM 0 H ILE A 2 4.597 0.545 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 2 4.871 3.411 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 2 6.805 1.255 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.806 1.993 0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.134 2.400 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.541 2.959 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.378 3.473 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.280 4.151 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.652 0.132 1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.449 0.092 0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.147 -0.320 0.283 1.00 0.00 H new ATOM 30 N SER A 3 5.149 4.137 -2.986 1.00 0.00 N ATOM 31 CA SER A 3 5.014 4.590 -4.365 1.00 0.00 C ATOM 32 C SER A 3 6.071 5.638 -4.698 1.00 0.00 C ATOM 33 O SER A 3 7.011 5.372 -5.447 1.00 0.00 O ATOM 34 CB SER A 3 3.616 5.166 -4.600 1.00 0.00 C ATOM 35 OG SER A 3 3.514 5.747 -5.889 1.00 0.00 O ATOM 0 H SER A 3 5.417 4.867 -2.327 1.00 0.00 H new ATOM 0 HA SER A 3 5.160 3.731 -5.020 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.871 4.377 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.396 5.917 -3.841 1.00 0.00 H new ATOM 0 HG SER A 3 2.611 6.106 -6.015 1.00 0.00 H new ATOM 41 N CYS A 4 5.910 6.831 -4.136 1.00 0.00 N ATOM 42 CA CYS A 4 6.848 7.922 -4.372 1.00 0.00 C ATOM 43 C CYS A 4 6.490 9.140 -3.526 1.00 0.00 C ATOM 44 O CYS A 4 7.368 9.821 -2.998 1.00 0.00 O ATOM 45 CB CYS A 4 6.858 8.302 -5.854 1.00 0.00 C ATOM 46 SG CYS A 4 8.524 8.561 -6.544 1.00 0.00 S ATOM 0 H CYS A 4 5.138 7.067 -3.513 1.00 0.00 H new ATOM 0 HA CYS A 4 7.843 7.581 -4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.359 7.517 -6.423 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.275 9.213 -5.988 1.00 0.00 H new ATOM 51 N GLY A 5 5.194 9.408 -3.402 1.00 0.00 N ATOM 52 CA GLY A 5 4.743 10.543 -2.618 1.00 0.00 C ATOM 53 C GLY A 5 5.229 10.488 -1.184 1.00 0.00 C ATOM 54 O GLY A 5 5.499 11.522 -0.573 1.00 0.00 O ATOM 0 H GLY A 5 4.448 8.860 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.095 11.464 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.654 10.577 -2.628 1.00 0.00 H new ATOM 58 N ALA A 6 5.340 9.279 -0.644 1.00 0.00 N ATOM 59 CA ALA A 6 5.798 9.093 0.727 1.00 0.00 C ATOM 60 C ALA A 6 7.321 9.063 0.798 1.00 0.00 C ATOM 61 O ALA A 6 7.910 9.373 1.834 1.00 0.00 O ATOM 62 CB ALA A 6 5.215 7.814 1.309 1.00 0.00 C ATOM 0 H ALA A 6 5.119 8.413 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 6 5.450 9.940 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.565 7.688 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.127 7.874 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.535 6.962 0.709 1.00 0.00 H new ATOM 68 N VAL A 7 7.953 8.687 -0.309 1.00 0.00 N ATOM 69 CA VAL A 7 9.408 8.617 -0.371 1.00 0.00 C ATOM 70 C VAL A 7 10.022 10.009 -0.463 1.00 0.00 C ATOM 71 O VAL A 7 11.024 10.303 0.191 1.00 0.00 O ATOM 72 CB VAL A 7 9.878 7.780 -1.576 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.374 7.520 -1.495 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.104 6.472 -1.650 1.00 0.00 C ATOM 0 H VAL A 7 7.481 8.426 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 7 9.741 8.136 0.549 1.00 0.00 H new ATOM 0 HB VAL A 7 9.681 8.344 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.687 6.927 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.909 8.470 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.600 6.976 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.449 5.893 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.268 5.900 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.041 6.684 -1.760 1.00 0.00 H new ATOM 84 N THR A 8 9.415 10.865 -1.279 1.00 0.00 N ATOM 85 CA THR A 8 9.902 12.227 -1.457 1.00 0.00 C ATOM 86 C THR A 8 9.686 13.058 -0.198 1.00 0.00 C ATOM 87 O THR A 8 10.373 14.054 0.026 1.00 0.00 O ATOM 88 CB THR A 8 9.205 12.922 -2.643 1.00 0.00 C ATOM 89 OG1 THR A 8 8.953 11.975 -3.686 1.00 0.00 O ATOM 90 CG2 THR A 8 10.059 14.061 -3.180 1.00 0.00 C ATOM 0 H THR A 8 8.585 10.639 -1.827 1.00 0.00 H new ATOM 0 HA THR A 8 10.970 12.156 -1.663 1.00 0.00 H new ATOM 0 HB THR A 8 8.259 13.333 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.263 11.343 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.547 14.537 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.225 14.795 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.018 13.669 -3.518 1.00 0.00 H new ATOM 98 N SER A 9 8.726 12.641 0.623 1.00 0.00 N ATOM 99 CA SER A 9 8.418 13.349 1.860 1.00 0.00 C ATOM 100 C SER A 9 9.600 13.301 2.823 1.00 0.00 C ATOM 101 O SER A 9 10.041 14.331 3.333 1.00 0.00 O ATOM 102 CB SER A 9 7.180 12.743 2.524 1.00 0.00 C ATOM 103 OG SER A 9 6.466 13.721 3.260 1.00 0.00 O ATOM 0 H SER A 9 8.149 11.817 0.453 1.00 0.00 H new ATOM 0 HA SER A 9 8.216 14.391 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.531 12.310 1.763 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.480 11.931 3.187 1.00 0.00 H new ATOM 0 HG SER A 9 5.679 13.309 3.673 1.00 0.00 H new ATOM 109 N ASP A 10 10.108 12.098 3.067 1.00 0.00 N ATOM 110 CA ASP A 10 11.240 11.914 3.967 1.00 0.00 C ATOM 111 C ASP A 10 12.541 12.352 3.302 1.00 0.00 C ATOM 112 O ASP A 10 13.534 12.628 3.976 1.00 0.00 O ATOM 113 CB ASP A 10 11.341 10.451 4.401 1.00 0.00 C ATOM 114 CG ASP A 10 9.982 9.809 4.595 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.123 10.427 5.259 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.776 8.688 4.083 1.00 0.00 O ATOM 0 H ASP A 10 9.753 11.235 2.654 1.00 0.00 H new ATOM 0 HA ASP A 10 11.077 12.536 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.900 9.891 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.905 10.389 5.332 1.00 0.00 H new ATOM 121 N LEU A 11 12.529 12.412 1.975 1.00 0.00 N ATOM 122 CA LEU A 11 13.708 12.815 1.216 1.00 0.00 C ATOM 123 C LEU A 11 13.994 14.301 1.404 1.00 0.00 C ATOM 124 O LEU A 11 15.151 14.721 1.444 1.00 0.00 O ATOM 125 CB LEU A 11 13.515 12.504 -0.269 1.00 0.00 C ATOM 126 CG LEU A 11 13.766 11.055 -0.690 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.117 10.770 -2.035 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.260 10.767 -0.744 1.00 0.00 C ATOM 0 H LEU A 11 11.716 12.187 1.402 1.00 0.00 H new ATOM 0 HA LEU A 11 14.561 12.249 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.495 12.770 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.180 13.149 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 11 13.316 10.397 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.306 9.735 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.042 10.936 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.537 11.435 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.420 9.732 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.733 11.432 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.698 10.930 0.241 1.00 0.00 H new ATOM 140 N SER A 12 12.933 15.093 1.520 1.00 0.00 N ATOM 141 CA SER A 12 13.070 16.533 1.701 1.00 0.00 C ATOM 142 C SER A 12 13.967 16.847 2.895 1.00 0.00 C ATOM 143 O SER A 12 14.986 17.528 2.776 1.00 0.00 O ATOM 144 CB SER A 12 11.696 17.176 1.898 1.00 0.00 C ATOM 145 OG SER A 12 11.784 18.327 2.721 1.00 0.00 O ATOM 0 H SER A 12 11.969 14.761 1.492 1.00 0.00 H new ATOM 0 HA SER A 12 13.531 16.945 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.277 17.449 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.015 16.454 2.349 1.00 0.00 H new ATOM 0 HG SER A 12 10.893 18.720 2.830 1.00 0.00 H new ATOM 151 N PRO A 13 13.580 16.340 4.075 1.00 0.00 N ATOM 152 CA PRO A 13 14.334 16.552 5.313 1.00 0.00 C ATOM 153 C PRO A 13 15.664 15.806 5.318 1.00 0.00 C ATOM 154 O PRO A 13 16.597 16.184 6.026 1.00 0.00 O ATOM 155 CB PRO A 13 13.404 15.995 6.395 1.00 0.00 C ATOM 156 CG PRO A 13 12.558 14.994 5.687 1.00 0.00 C ATOM 157 CD PRO A 13 12.376 15.519 4.290 1.00 0.00 C ATOM 0 HA PRO A 13 14.596 17.600 5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.970 15.534 7.204 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.797 16.783 6.840 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.038 14.015 5.677 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.597 14.872 6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.306 14.710 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.465 16.110 4.198 1.00 0.00 H new ATOM 165 N CYS A 14 15.743 14.744 4.523 1.00 0.00 N ATOM 166 CA CYS A 14 16.959 13.944 4.434 1.00 0.00 C ATOM 167 C CYS A 14 17.951 14.567 3.456 1.00 0.00 C ATOM 168 O CYS A 14 19.134 14.226 3.453 1.00 0.00 O ATOM 169 CB CYS A 14 16.624 12.516 3.997 1.00 0.00 C ATOM 170 SG CYS A 14 15.974 11.463 5.333 1.00 0.00 S ATOM 0 H CYS A 14 14.979 14.417 3.931 1.00 0.00 H new ATOM 0 HA CYS A 14 17.419 13.917 5.422 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.891 12.557 3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.522 12.053 3.588 1.00 0.00 H new ATOM 175 N LEU A 15 17.460 15.483 2.629 1.00 0.00 N ATOM 176 CA LEU A 15 18.302 16.156 1.646 1.00 0.00 C ATOM 177 C LEU A 15 19.360 17.015 2.331 1.00 0.00 C ATOM 178 O LEU A 15 20.541 16.959 1.987 1.00 0.00 O ATOM 179 CB LEU A 15 17.447 17.022 0.719 1.00 0.00 C ATOM 180 CG LEU A 15 16.943 16.345 -0.556 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.133 17.322 -1.394 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.109 15.789 -1.361 1.00 0.00 C ATOM 0 H LEU A 15 16.483 15.777 2.619 1.00 0.00 H new ATOM 0 HA LEU A 15 18.808 15.392 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.585 17.380 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.029 17.899 0.435 1.00 0.00 H new ATOM 0 HG LEU A 15 16.295 15.516 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.782 16.823 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.277 17.673 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.758 18.172 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.732 15.311 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.783 16.601 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.649 15.056 -0.761 1.00 0.00 H new ATOM 194 N THR A 16 18.928 17.810 3.306 1.00 0.00 N ATOM 195 CA THR A 16 19.837 18.680 4.041 1.00 0.00 C ATOM 196 C THR A 16 21.045 17.905 4.555 1.00 0.00 C ATOM 197 O THR A 16 22.167 18.412 4.551 1.00 0.00 O ATOM 198 CB THR A 16 19.129 19.354 5.232 1.00 0.00 C ATOM 199 OG1 THR A 16 17.893 19.935 4.802 1.00 0.00 O ATOM 200 CG2 THR A 16 20.012 20.428 5.849 1.00 0.00 C ATOM 0 H THR A 16 17.954 17.869 3.604 1.00 0.00 H new ATOM 0 HA THR A 16 20.172 19.448 3.344 1.00 0.00 H new ATOM 0 HB THR A 16 18.929 18.593 5.986 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.448 20.360 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.491 20.890 6.688 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.940 19.978 6.202 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.239 21.187 5.100 1.00 0.00 H new ATOM 208 N TYR A 17 20.809 16.675 4.997 1.00 0.00 N ATOM 209 CA TYR A 17 21.878 15.831 5.515 1.00 0.00 C ATOM 210 C TYR A 17 22.588 15.093 4.384 1.00 0.00 C ATOM 211 O TYR A 17 23.796 14.861 4.440 1.00 0.00 O ATOM 212 CB TYR A 17 21.319 14.825 6.523 1.00 0.00 C ATOM 213 CG TYR A 17 22.386 14.110 7.321 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.480 14.800 7.829 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.301 12.746 7.567 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.458 14.152 8.558 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.273 12.089 8.296 1.00 0.00 C ATOM 218 CZ TYR A 17 24.349 12.796 8.790 1.00 0.00 C ATOM 219 OH TYR A 17 25.321 12.146 9.516 1.00 0.00 O ATOM 0 H TYR A 17 19.886 16.240 5.007 1.00 0.00 H new ATOM 0 HA TYR A 17 22.602 16.474 6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.651 15.345 7.210 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.719 14.087 5.992 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.567 15.862 7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.460 12.189 7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.303 14.703 8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.191 11.028 8.478 1.00 0.00 H new ATOM 0 HH TYR A 17 25.094 11.196 9.589 1.00 0.00 H new ATOM 229 N LEU A 18 21.828 14.728 3.357 1.00 0.00 N ATOM 230 CA LEU A 18 22.382 14.017 2.210 1.00 0.00 C ATOM 231 C LEU A 18 23.218 14.952 1.342 1.00 0.00 C ATOM 232 O LEU A 18 23.895 14.514 0.411 1.00 0.00 O ATOM 233 CB LEU A 18 21.259 13.398 1.377 1.00 0.00 C ATOM 234 CG LEU A 18 20.771 12.020 1.827 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.623 11.547 0.950 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.914 11.015 1.800 1.00 0.00 C ATOM 0 H LEU A 18 20.827 14.913 3.295 1.00 0.00 H new ATOM 0 HA LEU A 18 23.028 13.223 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.410 14.082 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.599 13.321 0.344 1.00 0.00 H new ATOM 0 HG LEU A 18 20.408 12.101 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.289 10.565 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.797 12.254 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.959 11.482 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.549 10.040 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.307 10.938 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.706 11.347 2.471 1.00 0.00 H new ATOM 248 N THR A 19 23.167 16.244 1.653 1.00 0.00 N ATOM 249 CA THR A 19 23.920 17.241 0.903 1.00 0.00 C ATOM 250 C THR A 19 25.257 17.538 1.571 1.00 0.00 C ATOM 251 O THR A 19 26.143 18.142 0.968 1.00 0.00 O ATOM 252 CB THR A 19 23.127 18.554 0.761 1.00 0.00 C ATOM 253 OG1 THR A 19 22.373 18.802 1.952 1.00 0.00 O ATOM 254 CG2 THR A 19 22.189 18.492 -0.435 1.00 0.00 C ATOM 0 H THR A 19 22.612 16.624 2.420 1.00 0.00 H new ATOM 0 HA THR A 19 24.097 16.823 -0.088 1.00 0.00 H new ATOM 0 HB THR A 19 23.837 19.367 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.515 18.332 1.900 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.640 19.430 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.769 18.332 -1.344 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.486 17.670 -0.304 1.00 0.00 H new ATOM 262 N GLY A 20 25.397 17.109 2.822 1.00 0.00 N ATOM 263 CA GLY A 20 26.630 17.339 3.552 1.00 0.00 C ATOM 264 C GLY A 20 26.450 18.305 4.706 1.00 0.00 C ATOM 265 O GLY A 20 27.425 18.759 5.302 1.00 0.00 O ATOM 0 H GLY A 20 24.678 16.606 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.006 16.389 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.385 17.730 2.870 1.00 0.00 H new ATOM 269 N GLY A 21 25.198 18.622 5.020 1.00 0.00 N ATOM 270 CA GLY A 21 24.916 19.541 6.108 1.00 0.00 C ATOM 271 C GLY A 21 24.753 18.832 7.438 1.00 0.00 C ATOM 272 O GLY A 21 25.139 17.673 7.599 1.00 0.00 O ATOM 0 H GLY A 21 24.374 18.259 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.724 20.268 6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.006 20.098 5.883 1.00 0.00 H new ATOM 276 N PRO A 22 24.172 19.535 8.421 1.00 0.00 N ATOM 277 CA PRO A 22 23.947 18.986 9.761 1.00 0.00 C ATOM 278 C PRO A 22 22.876 17.901 9.771 1.00 0.00 C ATOM 279 O PRO A 22 21.853 18.019 9.100 1.00 0.00 O ATOM 280 CB PRO A 22 23.485 20.201 10.569 1.00 0.00 C ATOM 281 CG PRO A 22 22.896 21.125 9.560 1.00 0.00 C ATOM 282 CD PRO A 22 23.688 20.921 8.299 1.00 0.00 C ATOM 0 HA PRO A 22 24.841 18.506 10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.751 19.919 11.324 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.319 20.667 11.094 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.841 20.904 9.398 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.957 22.160 9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.071 21.054 7.411 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.513 21.630 8.223 1.00 0.00 H new ATOM 290 N GLY A 23 23.120 16.842 10.539 1.00 0.00 N ATOM 291 CA GLY A 23 22.167 15.751 10.622 1.00 0.00 C ATOM 292 C GLY A 23 22.791 14.475 11.149 1.00 0.00 C ATOM 293 O GLY A 23 23.899 14.476 11.687 1.00 0.00 O ATOM 0 H GLY A 23 23.960 16.721 11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.341 16.043 11.271 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.746 15.565 9.634 1.00 0.00 H new ATOM 297 N PRO A 24 22.071 13.353 10.999 1.00 0.00 N ATOM 298 CA PRO A 24 20.751 13.339 10.362 1.00 0.00 C ATOM 299 C PRO A 24 19.688 14.024 11.215 1.00 0.00 C ATOM 300 O PRO A 24 19.640 13.839 12.431 1.00 0.00 O ATOM 301 CB PRO A 24 20.441 11.847 10.219 1.00 0.00 C ATOM 302 CG PRO A 24 21.239 11.190 11.292 1.00 0.00 C ATOM 303 CD PRO A 24 22.489 12.012 11.441 1.00 0.00 C ATOM 0 HA PRO A 24 20.750 13.881 9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.376 11.650 10.341 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.723 11.477 9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.681 11.155 12.228 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.478 10.161 11.025 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.843 12.021 12.472 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.302 11.622 10.828 1.00 0.00 H new ATOM 311 N SER A 25 18.838 14.816 10.569 1.00 0.00 N ATOM 312 CA SER A 25 17.778 15.532 11.270 1.00 0.00 C ATOM 313 C SER A 25 16.783 14.556 11.891 1.00 0.00 C ATOM 314 O SER A 25 16.740 13.373 11.553 1.00 0.00 O ATOM 315 CB SER A 25 17.051 16.477 10.310 1.00 0.00 C ATOM 316 OG SER A 25 17.092 15.985 8.982 1.00 0.00 O ATOM 0 H SER A 25 18.862 14.978 9.562 1.00 0.00 H new ATOM 0 HA SER A 25 18.234 16.117 12.069 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.014 16.595 10.626 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.510 17.465 10.350 1.00 0.00 H new ATOM 0 HG SER A 25 16.490 16.514 8.418 1.00 0.00 H new ATOM 322 N PRO A 26 15.962 15.063 12.823 1.00 0.00 N ATOM 323 CA PRO A 26 14.951 14.255 13.512 1.00 0.00 C ATOM 324 C PRO A 26 13.809 13.844 12.588 1.00 0.00 C ATOM 325 O PRO A 26 13.361 12.699 12.613 1.00 0.00 O ATOM 326 CB PRO A 26 14.440 15.188 14.612 1.00 0.00 C ATOM 327 CG PRO A 26 14.699 16.561 14.095 1.00 0.00 C ATOM 328 CD PRO A 26 15.956 16.465 13.275 1.00 0.00 C ATOM 0 HA PRO A 26 15.364 13.319 13.887 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.378 15.031 14.803 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.962 15.014 15.553 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.864 16.914 13.489 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.821 17.270 14.914 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.941 17.158 12.434 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.841 16.700 13.867 1.00 0.00 H new ATOM 336 N GLN A 27 13.344 14.787 11.775 1.00 0.00 N ATOM 337 CA GLN A 27 12.254 14.522 10.844 1.00 0.00 C ATOM 338 C GLN A 27 12.677 13.511 9.783 1.00 0.00 C ATOM 339 O GLN A 27 11.871 12.702 9.324 1.00 0.00 O ATOM 340 CB GLN A 27 11.798 15.820 10.175 1.00 0.00 C ATOM 341 CG GLN A 27 10.906 16.678 11.058 1.00 0.00 C ATOM 342 CD GLN A 27 11.221 18.157 10.944 1.00 0.00 C ATOM 343 OE1 GLN A 27 10.761 18.832 10.023 1.00 0.00 O ATOM 344 NE2 GLN A 27 12.010 18.668 11.882 1.00 0.00 N ATOM 0 H GLN A 27 13.705 15.740 11.742 1.00 0.00 H new ATOM 0 HA GLN A 27 11.422 14.102 11.409 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.676 16.399 9.888 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.262 15.577 9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.864 16.510 10.787 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.020 16.365 12.096 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.369 18.071 12.627 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.257 19.657 11.857 1.00 0.00 H new ATOM 353 N CYS A 28 13.948 13.563 9.397 1.00 0.00 N ATOM 354 CA CYS A 28 14.479 12.654 8.390 1.00 0.00 C ATOM 355 C CYS A 28 14.473 11.215 8.898 1.00 0.00 C ATOM 356 O CYS A 28 13.977 10.310 8.227 1.00 0.00 O ATOM 357 CB CYS A 28 15.902 13.063 8.003 1.00 0.00 C ATOM 358 SG CYS A 28 16.809 11.796 7.059 1.00 0.00 S ATOM 0 H CYS A 28 14.629 14.226 9.767 1.00 0.00 H new ATOM 0 HA CYS A 28 13.838 12.713 7.510 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.858 13.978 7.413 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.461 13.295 8.909 1.00 0.00 H new ATOM 363 N CYS A 29 15.027 11.012 10.089 1.00 0.00 N ATOM 364 CA CYS A 29 15.086 9.684 10.689 1.00 0.00 C ATOM 365 C CYS A 29 13.703 9.041 10.724 1.00 0.00 C ATOM 366 O CYS A 29 13.525 7.902 10.295 1.00 0.00 O ATOM 367 CB CYS A 29 15.658 9.767 12.105 1.00 0.00 C ATOM 368 SG CYS A 29 17.465 9.991 12.165 1.00 0.00 S ATOM 0 H CYS A 29 15.442 11.750 10.658 1.00 0.00 H new ATOM 0 HA CYS A 29 15.740 9.064 10.076 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.182 10.596 12.630 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.397 8.857 12.645 1.00 0.00 H new ATOM 373 N GLY A 30 12.725 9.781 11.239 1.00 0.00 N ATOM 374 CA GLY A 30 11.370 9.267 11.320 1.00 0.00 C ATOM 375 C GLY A 30 10.848 8.792 9.979 1.00 0.00 C ATOM 376 O GLY A 30 10.246 7.724 9.882 1.00 0.00 O ATOM 0 H GLY A 30 12.847 10.727 11.601 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.340 8.441 12.031 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.712 10.045 11.707 1.00 0.00 H new ATOM 380 N GLY A 31 11.078 9.590 8.940 1.00 0.00 N ATOM 381 CA GLY A 31 10.619 9.229 7.612 1.00 0.00 C ATOM 382 C GLY A 31 11.364 8.037 7.044 1.00 0.00 C ATOM 383 O GLY A 31 10.765 7.158 6.424 1.00 0.00 O ATOM 0 H GLY A 31 11.574 10.480 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.553 9.003 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.742 10.082 6.944 1.00 0.00 H new ATOM 387 N VAL A 32 12.676 8.007 7.255 1.00 0.00 N ATOM 388 CA VAL A 32 13.505 6.914 6.760 1.00 0.00 C ATOM 389 C VAL A 32 12.981 5.565 7.240 1.00 0.00 C ATOM 390 O VAL A 32 12.653 4.692 6.437 1.00 0.00 O ATOM 391 CB VAL A 32 14.970 7.073 7.208 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.809 5.903 6.717 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.539 8.394 6.712 1.00 0.00 C ATOM 0 H VAL A 32 13.188 8.727 7.765 1.00 0.00 H new ATOM 0 HA VAL A 32 13.460 6.951 5.672 1.00 0.00 H new ATOM 0 HB VAL A 32 15.000 7.078 8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.841 6.033 7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.413 4.974 7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.775 5.863 5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.575 8.489 7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.497 8.422 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.953 9.218 7.119 1.00 0.00 H new ATOM 403 N LYS A 33 12.905 5.401 8.557 1.00 0.00 N ATOM 404 CA LYS A 33 12.420 4.160 9.147 1.00 0.00 C ATOM 405 C LYS A 33 11.024 3.822 8.631 1.00 0.00 C ATOM 406 O LYS A 33 10.621 2.659 8.618 1.00 0.00 O ATOM 407 CB LYS A 33 12.398 4.270 10.673 1.00 0.00 C ATOM 408 CG LYS A 33 13.743 3.992 11.322 1.00 0.00 C ATOM 409 CD LYS A 33 13.708 4.262 12.817 1.00 0.00 C ATOM 410 CE LYS A 33 14.586 3.283 13.581 1.00 0.00 C ATOM 411 NZ LYS A 33 13.858 2.657 14.719 1.00 0.00 N ATOM 0 H LYS A 33 13.174 6.113 9.236 1.00 0.00 H new ATOM 0 HA LYS A 33 13.100 3.359 8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.069 5.271 10.952 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.661 3.571 11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.025 2.954 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.508 4.614 10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.043 5.281 13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.682 4.189 13.177 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.938 2.505 12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.468 3.802 13.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.490 1.996 15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.544 3.397 15.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.030 2.140 14.359 1.00 0.00 H new ATOM 425 N LYS A 34 10.292 4.845 8.206 1.00 0.00 N ATOM 426 CA LYS A 34 8.942 4.658 7.687 1.00 0.00 C ATOM 427 C LYS A 34 8.974 3.976 6.323 1.00 0.00 C ATOM 428 O LYS A 34 8.181 3.074 6.049 1.00 0.00 O ATOM 429 CB LYS A 34 8.223 6.004 7.579 1.00 0.00 C ATOM 430 CG LYS A 34 6.709 5.890 7.618 1.00 0.00 C ATOM 431 CD LYS A 34 6.207 5.614 9.026 1.00 0.00 C ATOM 432 CE LYS A 34 4.778 5.093 9.016 1.00 0.00 C ATOM 433 NZ LYS A 34 4.464 4.312 10.244 1.00 0.00 N ATOM 0 H LYS A 34 10.611 5.814 8.211 1.00 0.00 H new ATOM 0 HA LYS A 34 8.398 4.018 8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.552 6.648 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.518 6.491 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.264 6.813 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.386 5.090 6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.858 4.885 9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.258 6.528 9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.086 5.931 8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.626 4.465 8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.481 3.974 10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.107 3.497 10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.584 4.918 11.081 1.00 0.00 H new ATOM 447 N LEU A 35 9.896 4.410 5.471 1.00 0.00 N ATOM 448 CA LEU A 35 10.033 3.840 4.135 1.00 0.00 C ATOM 449 C LEU A 35 10.468 2.380 4.208 1.00 0.00 C ATOM 450 O LEU A 35 10.075 1.561 3.375 1.00 0.00 O ATOM 451 CB LEU A 35 11.044 4.645 3.316 1.00 0.00 C ATOM 452 CG LEU A 35 11.061 4.369 1.812 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.692 5.533 1.064 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.806 3.076 1.516 1.00 0.00 C ATOM 0 H LEU A 35 10.560 5.155 5.681 1.00 0.00 H new ATOM 0 HA LEU A 35 9.060 3.886 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.843 5.705 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.040 4.450 3.712 1.00 0.00 H new ATOM 0 HG LEU A 35 10.032 4.258 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.696 5.319 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.117 6.440 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.716 5.675 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.808 2.895 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.833 3.158 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.311 2.247 2.022 1.00 0.00 H new ATOM 466 N LEU A 36 11.280 2.059 5.209 1.00 0.00 N ATOM 467 CA LEU A 36 11.767 0.697 5.393 1.00 0.00 C ATOM 468 C LEU A 36 10.749 -0.148 6.153 1.00 0.00 C ATOM 469 O LEU A 36 10.647 -1.356 5.939 1.00 0.00 O ATOM 470 CB LEU A 36 13.100 0.708 6.144 1.00 0.00 C ATOM 471 CG LEU A 36 14.345 0.976 5.299 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.503 1.420 6.179 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.724 -0.262 4.500 1.00 0.00 C ATOM 0 H LEU A 36 11.615 2.724 5.906 1.00 0.00 H new ATOM 0 HA LEU A 36 11.915 0.255 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.047 1.465 6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.223 -0.255 6.640 1.00 0.00 H new ATOM 0 HG LEU A 36 14.119 1.780 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.380 1.606 5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.230 2.335 6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.730 0.638 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.613 -0.053 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.931 -1.086 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.901 -0.535 3.840 1.00 0.00 H new ATOM 485 N ALA A 37 9.997 0.496 7.039 1.00 0.00 N ATOM 486 CA ALA A 37 8.984 -0.195 7.827 1.00 0.00 C ATOM 487 C ALA A 37 7.758 -0.521 6.980 1.00 0.00 C ATOM 488 O ALA A 37 7.138 -1.571 7.147 1.00 0.00 O ATOM 489 CB ALA A 37 8.587 0.646 9.031 1.00 0.00 C ATOM 0 H ALA A 37 10.070 1.495 7.229 1.00 0.00 H new ATOM 0 HA ALA A 37 9.411 -1.134 8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.830 0.118 9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.463 0.824 9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.184 1.600 8.691 1.00 0.00 H new ATOM 495 N ALA A 38 7.413 0.386 6.072 1.00 0.00 N ATOM 496 CA ALA A 38 6.262 0.194 5.199 1.00 0.00 C ATOM 497 C ALA A 38 6.567 -0.823 4.104 1.00 0.00 C ATOM 498 O ALA A 38 5.681 -1.222 3.350 1.00 0.00 O ATOM 499 CB ALA A 38 5.837 1.520 4.587 1.00 0.00 C ATOM 0 H ALA A 38 7.915 1.261 5.922 1.00 0.00 H new ATOM 0 HA ALA A 38 5.441 -0.195 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.976 1.362 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.569 2.218 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.661 1.932 4.004 1.00 0.00 H new ATOM 505 N ALA A 39 7.827 -1.237 4.022 1.00 0.00 N ATOM 506 CA ALA A 39 8.249 -2.208 3.020 1.00 0.00 C ATOM 507 C ALA A 39 8.925 -3.410 3.671 1.00 0.00 C ATOM 508 O ALA A 39 10.145 -3.436 3.831 1.00 0.00 O ATOM 509 CB ALA A 39 9.184 -1.555 2.013 1.00 0.00 C ATOM 0 H ALA A 39 8.574 -0.915 4.638 1.00 0.00 H new ATOM 0 HA ALA A 39 7.361 -2.563 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.491 -2.292 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.668 -0.733 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.064 -1.171 2.529 1.00 0.00 H new ATOM 515 N ASN A 40 8.125 -4.403 4.044 1.00 0.00 N ATOM 516 CA ASN A 40 8.647 -5.608 4.679 1.00 0.00 C ATOM 517 C ASN A 40 9.060 -6.639 3.633 1.00 0.00 C ATOM 518 O ASN A 40 10.057 -7.342 3.796 1.00 0.00 O ATOM 519 CB ASN A 40 7.600 -6.209 5.618 1.00 0.00 C ATOM 520 CG ASN A 40 8.225 -7.012 6.743 1.00 0.00 C ATOM 521 OD1 ASN A 40 8.016 -8.221 6.848 1.00 0.00 O ATOM 522 ND2 ASN A 40 8.996 -6.341 7.590 1.00 0.00 N ATOM 0 H ASN A 40 7.113 -4.397 3.918 1.00 0.00 H new ATOM 0 HA ASN A 40 9.528 -5.331 5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.993 -5.409 6.041 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.929 -6.850 5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.444 -6.827 8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.141 -5.339 7.464 1.00 0.00 H new ATOM 529 N THR A 41 8.285 -6.724 2.555 1.00 0.00 N ATOM 530 CA THR A 41 8.569 -7.668 1.482 1.00 0.00 C ATOM 531 C THR A 41 9.540 -7.073 0.469 1.00 0.00 C ATOM 532 O THR A 41 10.086 -5.989 0.678 1.00 0.00 O ATOM 533 CB THR A 41 7.281 -8.093 0.753 1.00 0.00 C ATOM 534 OG1 THR A 41 6.762 -6.996 -0.007 1.00 0.00 O ATOM 535 CG2 THR A 41 6.230 -8.571 1.744 1.00 0.00 C ATOM 0 H THR A 41 7.456 -6.150 2.403 1.00 0.00 H new ATOM 0 HA THR A 41 9.023 -8.545 1.944 1.00 0.00 H new ATOM 0 HB THR A 41 7.526 -8.916 0.082 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.944 -7.276 -0.469 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.329 -8.866 1.205 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.616 -9.425 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.990 -7.765 2.437 1.00 0.00 H new ATOM 543 N THR A 42 9.752 -7.788 -0.632 1.00 0.00 N ATOM 544 CA THR A 42 10.657 -7.331 -1.678 1.00 0.00 C ATOM 545 C THR A 42 9.970 -6.333 -2.603 1.00 0.00 C ATOM 546 O THR A 42 10.490 -5.254 -2.887 1.00 0.00 O ATOM 547 CB THR A 42 11.188 -8.509 -2.516 1.00 0.00 C ATOM 548 OG1 THR A 42 11.204 -9.704 -1.727 1.00 0.00 O ATOM 549 CG2 THR A 42 12.588 -8.218 -3.034 1.00 0.00 C ATOM 0 H THR A 42 9.308 -8.687 -0.822 1.00 0.00 H new ATOM 0 HA THR A 42 11.494 -6.843 -1.179 1.00 0.00 H new ATOM 0 HB THR A 42 10.524 -8.647 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.541 -10.449 -2.268 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.941 -9.065 -3.623 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.566 -7.325 -3.659 1.00 0.00 H new ATOM 0 HG23 THR A 42 13.261 -8.056 -2.192 1.00 0.00 H new ATOM 557 N PRO A 43 8.773 -6.699 -3.084 1.00 0.00 N ATOM 558 CA PRO A 43 7.988 -5.848 -3.984 1.00 0.00 C ATOM 559 C PRO A 43 7.887 -4.412 -3.482 1.00 0.00 C ATOM 560 O PRO A 43 8.106 -3.464 -4.236 1.00 0.00 O ATOM 561 CB PRO A 43 6.608 -6.512 -3.986 1.00 0.00 C ATOM 562 CG PRO A 43 6.875 -7.940 -3.659 1.00 0.00 C ATOM 563 CD PRO A 43 8.093 -7.971 -2.787 1.00 0.00 C ATOM 0 HA PRO A 43 8.441 -5.772 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.947 -6.054 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.122 -6.412 -4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.022 -8.384 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.037 -8.520 -4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.828 -8.046 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.728 -8.827 -3.017 1.00 0.00 H new ATOM 571 N ASP A 44 7.554 -4.258 -2.205 1.00 0.00 N ATOM 572 CA ASP A 44 7.426 -2.936 -1.602 1.00 0.00 C ATOM 573 C ASP A 44 8.770 -2.216 -1.581 1.00 0.00 C ATOM 574 O ASP A 44 8.866 -1.049 -1.962 1.00 0.00 O ATOM 575 CB ASP A 44 6.874 -3.053 -0.180 1.00 0.00 C ATOM 576 CG ASP A 44 5.359 -3.016 -0.143 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.731 -4.022 -0.534 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.801 -1.981 0.279 1.00 0.00 O ATOM 0 H ASP A 44 7.368 -5.032 -1.567 1.00 0.00 H new ATOM 0 HA ASP A 44 6.731 -2.353 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.223 -3.984 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.270 -2.240 0.428 1.00 0.00 H new ATOM 583 N ARG A 45 9.806 -2.918 -1.133 1.00 0.00 N ATOM 584 CA ARG A 45 11.144 -2.344 -1.061 1.00 0.00 C ATOM 585 C ARG A 45 11.648 -1.963 -2.450 1.00 0.00 C ATOM 586 O ARG A 45 12.483 -1.070 -2.593 1.00 0.00 O ATOM 587 CB ARG A 45 12.112 -3.333 -0.409 1.00 0.00 C ATOM 588 CG ARG A 45 12.096 -3.290 1.110 1.00 0.00 C ATOM 589 CD ARG A 45 12.976 -4.377 1.707 1.00 0.00 C ATOM 590 NE ARG A 45 13.688 -3.913 2.895 1.00 0.00 N ATOM 591 CZ ARG A 45 14.668 -4.594 3.478 1.00 0.00 C ATOM 592 NH1 ARG A 45 15.051 -5.764 2.985 1.00 0.00 N ATOM 593 NH2 ARG A 45 15.268 -4.106 4.556 1.00 0.00 N ATOM 0 H ARG A 45 9.744 -3.885 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 45 11.092 -1.441 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.863 -4.342 -0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.123 -3.123 -0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.440 -2.314 1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.073 -3.411 1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.362 -5.239 1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.696 -4.711 0.960 1.00 0.00 H new ATOM 0 HE ARG A 45 13.418 -3.016 3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.593 -6.143 2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.804 -6.285 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.977 -3.206 4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.020 -4.630 5.002 1.00 0.00 H new ATOM 607 N GLN A 46 11.135 -2.646 -3.468 1.00 0.00 N ATOM 608 CA GLN A 46 11.535 -2.379 -4.845 1.00 0.00 C ATOM 609 C GLN A 46 11.003 -1.029 -5.314 1.00 0.00 C ATOM 610 O GLN A 46 11.753 -0.201 -5.830 1.00 0.00 O ATOM 611 CB GLN A 46 11.029 -3.488 -5.769 1.00 0.00 C ATOM 612 CG GLN A 46 12.013 -4.635 -5.938 1.00 0.00 C ATOM 613 CD GLN A 46 11.799 -5.402 -7.228 1.00 0.00 C ATOM 614 OE1 GLN A 46 11.745 -4.817 -8.310 1.00 0.00 O ATOM 615 NE2 GLN A 46 11.675 -6.720 -7.120 1.00 0.00 N ATOM 0 H GLN A 46 10.442 -3.388 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 46 12.624 -2.353 -4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.092 -3.880 -5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.809 -3.062 -6.748 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.030 -4.243 -5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.918 -5.318 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.726 -7.164 -6.203 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.529 -7.289 -7.954 1.00 0.00 H new ATOM 624 N ALA A 47 9.705 -0.814 -5.131 1.00 0.00 N ATOM 625 CA ALA A 47 9.073 0.437 -5.534 1.00 0.00 C ATOM 626 C ALA A 47 9.777 1.635 -4.905 1.00 0.00 C ATOM 627 O ALA A 47 10.141 2.586 -5.595 1.00 0.00 O ATOM 628 CB ALA A 47 7.599 0.430 -5.157 1.00 0.00 C ATOM 0 H ALA A 47 9.070 -1.490 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 47 9.158 0.526 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.140 1.370 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.099 -0.398 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.500 0.313 -4.078 1.00 0.00 H new ATOM 634 N ALA A 48 9.963 1.581 -3.590 1.00 0.00 N ATOM 635 CA ALA A 48 10.624 2.661 -2.868 1.00 0.00 C ATOM 636 C ALA A 48 12.050 2.865 -3.369 1.00 0.00 C ATOM 637 O ALA A 48 12.421 3.962 -3.786 1.00 0.00 O ATOM 638 CB ALA A 48 10.623 2.375 -1.373 1.00 0.00 C ATOM 0 H ALA A 48 9.665 0.801 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 48 10.068 3.580 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.120 3.190 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.595 2.288 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.153 1.442 -1.181 1.00 0.00 H new ATOM 644 N CYS A 49 12.845 1.802 -3.323 1.00 0.00 N ATOM 645 CA CYS A 49 14.231 1.864 -3.771 1.00 0.00 C ATOM 646 C CYS A 49 14.332 2.537 -5.137 1.00 0.00 C ATOM 647 O CYS A 49 15.263 3.298 -5.398 1.00 0.00 O ATOM 648 CB CYS A 49 14.831 0.457 -3.838 1.00 0.00 C ATOM 649 SG CYS A 49 15.507 -0.139 -2.256 1.00 0.00 S ATOM 0 H CYS A 49 12.553 0.887 -2.980 1.00 0.00 H new ATOM 0 HA CYS A 49 14.793 2.458 -3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.063 -0.238 -4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.623 0.447 -4.586 1.00 0.00 H new ATOM 654 N ASN A 50 13.366 2.251 -6.004 1.00 0.00 N ATOM 655 CA ASN A 50 13.346 2.829 -7.343 1.00 0.00 C ATOM 656 C ASN A 50 13.257 4.351 -7.278 1.00 0.00 C ATOM 657 O ASN A 50 14.054 5.057 -7.896 1.00 0.00 O ATOM 658 CB ASN A 50 12.167 2.272 -8.144 1.00 0.00 C ATOM 659 CG ASN A 50 12.291 0.782 -8.394 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.396 0.248 -8.495 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.155 0.102 -8.496 1.00 0.00 N ATOM 0 H ASN A 50 12.588 1.623 -5.804 1.00 0.00 H new ATOM 0 HA ASN A 50 14.276 2.558 -7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.240 2.472 -7.607 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.101 2.794 -9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.176 -0.904 -8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.261 0.585 -8.406 1.00 0.00 H new ATOM 668 N CYS A 51 12.283 4.849 -6.525 1.00 0.00 N ATOM 669 CA CYS A 51 12.088 6.287 -6.377 1.00 0.00 C ATOM 670 C CYS A 51 13.224 6.909 -5.571 1.00 0.00 C ATOM 671 O CYS A 51 13.513 8.099 -5.701 1.00 0.00 O ATOM 672 CB CYS A 51 10.748 6.574 -5.698 1.00 0.00 C ATOM 673 SG CYS A 51 9.357 6.781 -6.855 1.00 0.00 S ATOM 0 H CYS A 51 11.615 4.278 -6.007 1.00 0.00 H new ATOM 0 HA CYS A 51 12.085 6.733 -7.372 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.518 5.758 -5.013 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.844 7.478 -5.097 1.00 0.00 H new ATOM 678 N LEU A 52 13.865 6.097 -4.737 1.00 0.00 N ATOM 679 CA LEU A 52 14.970 6.567 -3.909 1.00 0.00 C ATOM 680 C LEU A 52 16.234 6.752 -4.742 1.00 0.00 C ATOM 681 O LEU A 52 16.783 7.851 -4.821 1.00 0.00 O ATOM 682 CB LEU A 52 15.235 5.580 -2.770 1.00 0.00 C ATOM 683 CG LEU A 52 14.467 5.831 -1.472 1.00 0.00 C ATOM 684 CD1 LEU A 52 14.709 4.702 -0.482 1.00 0.00 C ATOM 685 CD2 LEU A 52 14.866 7.169 -0.867 1.00 0.00 C ATOM 0 H LEU A 52 13.638 5.110 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 52 14.691 7.533 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.995 4.577 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.302 5.593 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 52 13.402 5.862 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.155 4.898 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.373 3.760 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.773 4.638 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.310 7.331 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.934 7.167 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.640 7.969 -1.572 1.00 0.00 H new ATOM 697 N LYS A 53 16.691 5.670 -5.363 1.00 0.00 N ATOM 698 CA LYS A 53 17.888 5.712 -6.194 1.00 0.00 C ATOM 699 C LYS A 53 17.809 6.851 -7.205 1.00 0.00 C ATOM 700 O LYS A 53 18.795 7.547 -7.449 1.00 0.00 O ATOM 701 CB LYS A 53 18.075 4.380 -6.923 1.00 0.00 C ATOM 702 CG LYS A 53 19.530 4.026 -7.180 1.00 0.00 C ATOM 703 CD LYS A 53 19.787 2.542 -6.977 1.00 0.00 C ATOM 704 CE LYS A 53 18.951 1.697 -7.926 1.00 0.00 C ATOM 705 NZ LYS A 53 17.887 0.944 -7.206 1.00 0.00 N ATOM 0 H LYS A 53 16.250 4.752 -5.306 1.00 0.00 H new ATOM 0 HA LYS A 53 18.745 5.886 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.615 3.586 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.546 4.419 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.799 4.307 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.169 4.602 -6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.844 2.330 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.557 2.269 -5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.495 2.340 -8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.598 0.996 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.034 0.896 -7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.221 -0.019 -7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.662 1.429 -6.314 1.00 0.00 H new ATOM 719 N SER A 54 16.630 7.036 -7.790 1.00 0.00 N ATOM 720 CA SER A 54 16.423 8.090 -8.777 1.00 0.00 C ATOM 721 C SER A 54 16.333 9.456 -8.103 1.00 0.00 C ATOM 722 O SER A 54 16.665 10.478 -8.702 1.00 0.00 O ATOM 723 CB SER A 54 15.150 7.821 -9.582 1.00 0.00 C ATOM 724 OG SER A 54 14.646 9.016 -10.153 1.00 0.00 O ATOM 0 H SER A 54 15.804 6.470 -7.598 1.00 0.00 H new ATOM 0 HA SER A 54 17.278 8.094 -9.453 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.360 7.098 -10.370 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.394 7.376 -8.935 1.00 0.00 H new ATOM 0 HG SER A 54 13.833 8.817 -10.664 1.00 0.00 H new ATOM 730 N ALA A 55 15.882 9.463 -6.853 1.00 0.00 N ATOM 731 CA ALA A 55 15.750 10.701 -6.096 1.00 0.00 C ATOM 732 C ALA A 55 17.116 11.288 -5.759 1.00 0.00 C ATOM 733 O ALA A 55 17.369 12.469 -5.989 1.00 0.00 O ATOM 734 CB ALA A 55 14.949 10.460 -4.825 1.00 0.00 C ATOM 0 H ALA A 55 15.602 8.625 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 55 15.218 11.422 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.858 11.393 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.956 10.094 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.458 9.719 -4.209 1.00 0.00 H new ATOM 740 N ALA A 56 17.994 10.453 -5.211 1.00 0.00 N ATOM 741 CA ALA A 56 19.336 10.889 -4.843 1.00 0.00 C ATOM 742 C ALA A 56 20.144 11.276 -6.076 1.00 0.00 C ATOM 743 O ALA A 56 21.192 11.913 -5.969 1.00 0.00 O ATOM 744 CB ALA A 56 20.050 9.796 -4.063 1.00 0.00 C ATOM 0 H ALA A 56 17.800 9.472 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 56 19.244 11.771 -4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.051 10.135 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.488 9.570 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.123 8.899 -4.678 1.00 0.00 H new ATOM 750 N GLY A 57 19.651 10.888 -7.248 1.00 0.00 N ATOM 751 CA GLY A 57 20.341 11.203 -8.485 1.00 0.00 C ATOM 752 C GLY A 57 20.489 12.696 -8.702 1.00 0.00 C ATOM 753 O GLY A 57 21.303 13.134 -9.516 1.00 0.00 O ATOM 0 H GLY A 57 18.785 10.361 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.328 10.741 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 57 19.795 10.770 -9.323 1.00 0.00 H new ATOM 757 N SER A 58 19.700 13.479 -7.974 1.00 0.00 N ATOM 758 CA SER A 58 19.744 14.932 -8.095 1.00 0.00 C ATOM 759 C SER A 58 20.702 15.534 -7.072 1.00 0.00 C ATOM 760 O SER A 58 20.843 16.754 -6.981 1.00 0.00 O ATOM 761 CB SER A 58 18.344 15.522 -7.910 1.00 0.00 C ATOM 762 OG SER A 58 17.391 14.834 -8.701 1.00 0.00 O ATOM 0 H SER A 58 19.023 13.132 -7.294 1.00 0.00 H new ATOM 0 HA SER A 58 20.106 15.178 -9.093 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.058 15.465 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.352 16.578 -8.182 1.00 0.00 H new ATOM 0 HG SER A 58 16.505 15.229 -8.563 1.00 0.00 H new ATOM 768 N ILE A 59 21.357 14.669 -6.304 1.00 0.00 N ATOM 769 CA ILE A 59 22.302 15.115 -5.288 1.00 0.00 C ATOM 770 C ILE A 59 23.678 15.373 -5.893 1.00 0.00 C ATOM 771 O ILE A 59 24.341 14.453 -6.374 1.00 0.00 O ATOM 772 CB ILE A 59 22.438 14.082 -4.154 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.063 13.748 -3.571 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.367 14.605 -3.069 1.00 0.00 C ATOM 775 CD1 ILE A 59 21.115 12.750 -2.436 1.00 0.00 C ATOM 0 H ILE A 59 21.250 13.656 -6.366 1.00 0.00 H new ATOM 0 HA ILE A 59 21.908 16.044 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 59 22.869 13.169 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.595 14.666 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.428 13.352 -4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.453 13.863 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.352 14.796 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 59 22.963 15.531 -2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.105 12.560 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.554 11.818 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.724 13.152 -1.626 1.00 0.00 H new ATOM 787 N THR A 60 24.104 16.632 -5.864 1.00 0.00 N ATOM 788 CA THR A 60 25.402 17.013 -6.408 1.00 0.00 C ATOM 789 C THR A 60 26.535 16.568 -5.491 1.00 0.00 C ATOM 790 O THR A 60 26.549 16.891 -4.303 1.00 0.00 O ATOM 791 CB THR A 60 25.497 18.535 -6.622 1.00 0.00 C ATOM 792 OG1 THR A 60 26.818 18.889 -7.045 1.00 0.00 O ATOM 793 CG2 THR A 60 25.151 19.283 -5.343 1.00 0.00 C ATOM 0 H THR A 60 23.569 17.405 -5.469 1.00 0.00 H new ATOM 0 HA THR A 60 25.500 16.512 -7.371 1.00 0.00 H new ATOM 0 HB THR A 60 24.781 18.817 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 60 26.869 19.858 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.225 20.356 -5.518 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.134 19.034 -5.040 1.00 0.00 H new ATOM 0 HG23 THR A 60 25.846 18.995 -4.554 1.00 0.00 H new ATOM 801 N LYS A 61 27.485 15.825 -6.049 1.00 0.00 N ATOM 802 CA LYS A 61 28.624 15.336 -5.281 1.00 0.00 C ATOM 803 C LYS A 61 28.162 14.485 -4.103 1.00 0.00 C ATOM 804 O LYS A 61 28.616 14.672 -2.973 1.00 0.00 O ATOM 805 CB LYS A 61 29.467 16.510 -4.777 1.00 0.00 C ATOM 806 CG LYS A 61 30.412 17.074 -5.824 1.00 0.00 C ATOM 807 CD LYS A 61 31.599 17.774 -5.184 1.00 0.00 C ATOM 808 CE LYS A 61 32.803 16.849 -5.081 1.00 0.00 C ATOM 809 NZ LYS A 61 34.001 17.555 -4.549 1.00 0.00 N ATOM 0 H LYS A 61 27.489 15.548 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 61 29.233 14.715 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.802 17.303 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.047 16.185 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.767 16.268 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.874 17.776 -6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.864 18.654 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.323 18.125 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.560 16.007 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.031 16.438 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 34.799 16.891 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.249 18.343 -5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.793 17.925 -3.600 1.00 0.00 H new ATOM 823 N LEU A 62 27.258 13.550 -4.372 1.00 0.00 N ATOM 824 CA LEU A 62 26.736 12.669 -3.334 1.00 0.00 C ATOM 825 C LEU A 62 27.871 12.026 -2.543 1.00 0.00 C ATOM 826 O LEU A 62 28.885 11.623 -3.111 1.00 0.00 O ATOM 827 CB LEU A 62 25.853 11.584 -3.954 1.00 0.00 C ATOM 828 CG LEU A 62 25.363 10.492 -3.003 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.026 10.878 -2.391 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.255 9.160 -3.731 1.00 0.00 C ATOM 0 H LEU A 62 26.871 13.382 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 62 26.137 13.270 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 62 24.983 12.064 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.409 11.110 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 62 26.090 10.385 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.693 10.089 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.136 11.808 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.289 11.014 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.905 8.394 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.549 9.253 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.233 8.878 -4.120 1.00 0.00 H new ATOM 842 N ASN A 63 27.691 11.933 -1.230 1.00 0.00 N ATOM 843 CA ASN A 63 28.700 11.337 -0.361 1.00 0.00 C ATOM 844 C ASN A 63 28.260 9.957 0.117 1.00 0.00 C ATOM 845 O ASN A 63 27.416 9.834 1.006 1.00 0.00 O ATOM 846 CB ASN A 63 28.966 12.244 0.842 1.00 0.00 C ATOM 847 CG ASN A 63 30.388 12.122 1.356 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.874 11.020 1.612 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.062 13.256 1.508 1.00 0.00 N ATOM 0 H ASN A 63 26.857 12.262 -0.744 1.00 0.00 H new ATOM 0 HA ASN A 63 29.619 11.227 -0.936 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.771 13.279 0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.270 11.994 1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.023 13.236 1.849 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.619 14.147 1.283 1.00 0.00 H new ATOM 856 N THR A 64 28.837 8.918 -0.479 1.00 0.00 N ATOM 857 CA THR A 64 28.506 7.546 -0.116 1.00 0.00 C ATOM 858 C THR A 64 28.657 7.323 1.384 1.00 0.00 C ATOM 859 O THR A 64 27.883 6.586 1.993 1.00 0.00 O ATOM 860 CB THR A 64 29.393 6.536 -0.867 1.00 0.00 C ATOM 861 OG1 THR A 64 30.762 6.952 -0.813 1.00 0.00 O ATOM 862 CG2 THR A 64 28.955 6.403 -2.317 1.00 0.00 C ATOM 0 H THR A 64 29.537 9.001 -1.216 1.00 0.00 H new ATOM 0 HA THR A 64 27.466 7.386 -0.401 1.00 0.00 H new ATOM 0 HB THR A 64 29.289 5.565 -0.383 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.320 6.304 -1.291 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.597 5.684 -2.826 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.922 6.058 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 64 29.032 7.372 -2.811 1.00 0.00 H new ATOM 870 N ASN A 65 29.660 7.964 1.975 1.00 0.00 N ATOM 871 CA ASN A 65 29.913 7.835 3.405 1.00 0.00 C ATOM 872 C ASN A 65 28.770 8.437 4.217 1.00 0.00 C ATOM 873 O ASN A 65 28.301 7.840 5.184 1.00 0.00 O ATOM 874 CB ASN A 65 31.231 8.519 3.775 1.00 0.00 C ATOM 875 CG ASN A 65 32.418 7.580 3.676 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.871 7.248 2.580 1.00 0.00 O ATOM 877 ND2 ASN A 65 32.926 7.146 4.823 1.00 0.00 N ATOM 0 H ASN A 65 30.311 8.578 1.485 1.00 0.00 H new ATOM 0 HA ASN A 65 29.983 6.773 3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.391 9.373 3.117 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.163 8.908 4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 65 33.724 6.511 4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 65 32.518 7.448 5.708 1.00 0.00 H new ATOM 884 N ASN A 66 28.327 9.623 3.814 1.00 0.00 N ATOM 885 CA ASN A 66 27.238 10.307 4.503 1.00 0.00 C ATOM 886 C ASN A 66 25.924 9.551 4.328 1.00 0.00 C ATOM 887 O ASN A 66 25.127 9.448 5.260 1.00 0.00 O ATOM 888 CB ASN A 66 27.092 11.736 3.978 1.00 0.00 C ATOM 889 CG ASN A 66 28.383 12.525 4.082 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.365 12.057 4.658 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.386 13.730 3.523 1.00 0.00 N ATOM 0 H ASN A 66 28.705 10.131 3.014 1.00 0.00 H new ATOM 0 HA ASN A 66 27.478 10.341 5.566 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.770 11.707 2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.310 12.248 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.226 14.308 3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.549 14.078 3.056 1.00 0.00 H new ATOM 898 N ALA A 67 25.706 9.025 3.128 1.00 0.00 N ATOM 899 CA ALA A 67 24.491 8.277 2.831 1.00 0.00 C ATOM 900 C ALA A 67 24.341 7.080 3.763 1.00 0.00 C ATOM 901 O ALA A 67 23.240 6.765 4.213 1.00 0.00 O ATOM 902 CB ALA A 67 24.494 7.820 1.379 1.00 0.00 C ATOM 0 H ALA A 67 26.355 9.103 2.345 1.00 0.00 H new ATOM 0 HA ALA A 67 23.639 8.938 2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.581 7.263 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.545 8.690 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.358 7.180 1.201 1.00 0.00 H new ATOM 908 N ALA A 68 25.456 6.415 4.050 1.00 0.00 N ATOM 909 CA ALA A 68 25.449 5.254 4.930 1.00 0.00 C ATOM 910 C ALA A 68 25.323 5.673 6.391 1.00 0.00 C ATOM 911 O ALA A 68 24.817 4.919 7.222 1.00 0.00 O ATOM 912 CB ALA A 68 26.708 4.426 4.723 1.00 0.00 C ATOM 0 H ALA A 68 26.376 6.662 3.685 1.00 0.00 H new ATOM 0 HA ALA A 68 24.582 4.644 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.689 3.562 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.754 4.087 3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.584 5.035 4.945 1.00 0.00 H new ATOM 918 N ALA A 69 25.787 6.880 6.697 1.00 0.00 N ATOM 919 CA ALA A 69 25.725 7.399 8.058 1.00 0.00 C ATOM 920 C ALA A 69 24.300 7.793 8.431 1.00 0.00 C ATOM 921 O ALA A 69 23.939 7.816 9.609 1.00 0.00 O ATOM 922 CB ALA A 69 26.661 8.589 8.212 1.00 0.00 C ATOM 0 H ALA A 69 26.210 7.517 6.021 1.00 0.00 H new ATOM 0 HA ALA A 69 26.045 6.608 8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.605 8.967 9.233 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.683 8.278 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.367 9.376 7.517 1.00 0.00 H new ATOM 928 N LEU A 70 23.493 8.102 7.422 1.00 0.00 N ATOM 929 CA LEU A 70 22.106 8.495 7.644 1.00 0.00 C ATOM 930 C LEU A 70 21.340 7.398 8.377 1.00 0.00 C ATOM 931 O LEU A 70 20.777 7.611 9.451 1.00 0.00 O ATOM 932 CB LEU A 70 21.424 8.807 6.311 1.00 0.00 C ATOM 933 CG LEU A 70 19.908 8.610 6.271 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.232 9.449 7.344 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.361 8.961 4.895 1.00 0.00 C ATOM 0 H LEU A 70 23.775 8.088 6.442 1.00 0.00 H new ATOM 0 HA LEU A 70 22.103 9.391 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.643 9.842 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.872 8.180 5.541 1.00 0.00 H new ATOM 0 HG LEU A 70 19.692 7.560 6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.154 9.296 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.601 9.151 8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.456 10.503 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.281 8.815 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.589 10.002 4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.821 8.317 4.145 1.00 0.00 H new ATOM 947 N PRO A 71 21.318 6.195 7.784 1.00 0.00 N ATOM 948 CA PRO A 71 20.626 5.040 8.364 1.00 0.00 C ATOM 949 C PRO A 71 21.319 4.519 9.618 1.00 0.00 C ATOM 950 O PRO A 71 20.665 4.105 10.575 1.00 0.00 O ATOM 951 CB PRO A 71 20.684 3.995 7.248 1.00 0.00 C ATOM 952 CG PRO A 71 21.878 4.370 6.439 1.00 0.00 C ATOM 953 CD PRO A 71 21.967 5.870 6.503 1.00 0.00 C ATOM 0 HA PRO A 71 19.613 5.289 8.682 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.781 2.988 7.653 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.776 4.010 6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.781 3.908 6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.774 4.029 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 71 23.001 6.213 6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.455 6.339 5.663 1.00 0.00 H new ATOM 961 N GLY A 72 22.649 4.542 9.607 1.00 0.00 N ATOM 962 CA GLY A 72 23.409 4.069 10.750 1.00 0.00 C ATOM 963 C GLY A 72 23.246 4.962 11.964 1.00 0.00 C ATOM 964 O GLY A 72 23.207 4.482 13.097 1.00 0.00 O ATOM 0 H GLY A 72 23.213 4.880 8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.090 3.058 11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.464 4.013 10.483 1.00 0.00 H new ATOM 968 N LYS A 73 23.154 6.267 11.728 1.00 0.00 N ATOM 969 CA LYS A 73 22.995 7.230 12.811 1.00 0.00 C ATOM 970 C LYS A 73 21.563 7.228 13.336 1.00 0.00 C ATOM 971 O LYS A 73 21.319 7.528 14.505 1.00 0.00 O ATOM 972 CB LYS A 73 23.372 8.634 12.331 1.00 0.00 C ATOM 973 CG LYS A 73 24.866 8.833 12.147 1.00 0.00 C ATOM 974 CD LYS A 73 25.408 9.892 13.092 1.00 0.00 C ATOM 975 CE LYS A 73 26.635 10.581 12.513 1.00 0.00 C ATOM 976 NZ LYS A 73 27.174 11.620 13.433 1.00 0.00 N ATOM 0 H LYS A 73 23.187 6.681 10.797 1.00 0.00 H new ATOM 0 HA LYS A 73 23.661 6.939 13.623 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.868 8.833 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.002 9.366 13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.384 7.890 12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.071 9.124 11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.634 10.633 13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.664 9.433 14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.407 9.838 12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.377 11.040 11.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.009 12.066 13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.446 12.342 13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.444 11.179 14.335 1.00 0.00 H new ATOM 990 N CYS A 74 20.619 6.887 12.465 1.00 0.00 N ATOM 991 CA CYS A 74 19.211 6.845 12.840 1.00 0.00 C ATOM 992 C CYS A 74 18.867 5.519 13.513 1.00 0.00 C ATOM 993 O CYS A 74 17.751 5.325 13.992 1.00 0.00 O ATOM 994 CB CYS A 74 18.327 7.049 11.608 1.00 0.00 C ATOM 995 SG CYS A 74 18.354 8.746 10.946 1.00 0.00 S ATOM 0 H CYS A 74 20.804 6.636 11.494 1.00 0.00 H new ATOM 0 HA CYS A 74 19.025 7.651 13.549 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.647 6.360 10.826 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.300 6.786 11.863 1.00 0.00 H new ATOM 1000 N GLY A 75 19.836 4.609 13.545 1.00 0.00 N ATOM 1001 CA GLY A 75 19.617 3.313 14.161 1.00 0.00 C ATOM 1002 C GLY A 75 18.978 2.320 13.210 1.00 0.00 C ATOM 1003 O GLY A 75 18.819 1.146 13.543 1.00 0.00 O ATOM 0 H GLY A 75 20.769 4.746 13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.569 2.915 14.511 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.980 3.434 15.037 1.00 0.00 H new ATOM 1007 N VAL A 76 18.610 2.792 12.023 1.00 0.00 N ATOM 1008 CA VAL A 76 17.985 1.937 11.021 1.00 0.00 C ATOM 1009 C VAL A 76 18.953 1.623 9.885 1.00 0.00 C ATOM 1010 O VAL A 76 18.979 2.317 8.870 1.00 0.00 O ATOM 1011 CB VAL A 76 16.719 2.590 10.437 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.011 4.015 9.990 1.00 0.00 C ATOM 1013 CG2 VAL A 76 16.176 1.761 9.282 1.00 0.00 C ATOM 0 H VAL A 76 18.734 3.762 11.732 1.00 0.00 H new ATOM 0 HA VAL A 76 17.708 1.011 11.524 1.00 0.00 H new ATOM 0 HB VAL A 76 15.958 2.628 11.216 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.105 4.461 9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.350 4.602 10.844 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.788 4.005 9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.281 2.237 8.881 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.931 1.690 8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.927 0.761 9.637 1.00 0.00 H new ATOM 1023 N ASN A 77 19.746 0.572 10.064 1.00 0.00 N ATOM 1024 CA ASN A 77 20.717 0.166 9.054 1.00 0.00 C ATOM 1025 C ASN A 77 20.091 -0.808 8.060 1.00 0.00 C ATOM 1026 O ASN A 77 19.264 -1.642 8.429 1.00 0.00 O ATOM 1027 CB ASN A 77 21.936 -0.477 9.717 1.00 0.00 C ATOM 1028 CG ASN A 77 22.997 0.541 10.087 1.00 0.00 C ATOM 1029 OD1 ASN A 77 23.335 1.419 9.293 1.00 0.00 O ATOM 1030 ND2 ASN A 77 23.529 0.428 11.299 1.00 0.00 N ATOM 0 H ASN A 77 19.736 -0.014 10.899 1.00 0.00 H new ATOM 0 HA ASN A 77 21.035 1.057 8.512 1.00 0.00 H new ATOM 0 HB2 ASN A 77 21.620 -1.010 10.614 1.00 0.00 H new ATOM 0 HB3 ASN A 77 22.366 -1.217 9.041 1.00 0.00 H new ATOM 0 HD21 ASN A 77 24.248 1.085 11.604 1.00 0.00 H new ATOM 0 HD22 ASN A 77 23.219 -0.315 11.925 1.00 0.00 H new ATOM 1037 N ILE A 78 20.493 -0.696 6.798 1.00 0.00 N ATOM 1038 CA ILE A 78 19.974 -1.568 5.752 1.00 0.00 C ATOM 1039 C ILE A 78 21.082 -2.424 5.149 1.00 0.00 C ATOM 1040 O ILE A 78 22.266 -2.097 5.229 1.00 0.00 O ATOM 1041 CB ILE A 78 19.298 -0.759 4.629 1.00 0.00 C ATOM 1042 CG1 ILE A 78 20.116 0.495 4.311 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.878 -0.385 5.026 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.727 1.697 5.143 1.00 0.00 C ATOM 0 H ILE A 78 21.176 -0.010 6.476 1.00 0.00 H new ATOM 0 HA ILE A 78 19.232 -2.215 6.220 1.00 0.00 H new ATOM 0 HB ILE A 78 19.252 -1.378 3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 78 21.173 0.280 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.996 0.739 3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.414 0.186 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 78 17.300 -1.291 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.901 0.218 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.347 2.549 4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.679 1.938 4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.874 1.471 6.199 1.00 0.00 H new ATOM 1056 N PRO A 79 20.691 -3.548 4.530 1.00 0.00 N ATOM 1057 CA PRO A 79 21.636 -4.474 3.899 1.00 0.00 C ATOM 1058 C PRO A 79 22.273 -3.887 2.644 1.00 0.00 C ATOM 1059 O PRO A 79 23.282 -4.394 2.153 1.00 0.00 O ATOM 1060 CB PRO A 79 20.766 -5.682 3.543 1.00 0.00 C ATOM 1061 CG PRO A 79 19.389 -5.129 3.407 1.00 0.00 C ATOM 1062 CD PRO A 79 19.296 -4.001 4.397 1.00 0.00 C ATOM 0 HA PRO A 79 22.472 -4.713 4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 79 21.098 -6.150 2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 79 20.811 -6.445 4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 79 19.210 -4.773 2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 79 18.639 -5.893 3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 79 18.647 -3.203 4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.890 -4.336 5.351 1.00 0.00 H new ATOM 1070 N TYR A 80 21.678 -2.817 2.130 1.00 0.00 N ATOM 1071 CA TYR A 80 22.186 -2.162 0.930 1.00 0.00 C ATOM 1072 C TYR A 80 22.444 -0.680 1.186 1.00 0.00 C ATOM 1073 O TYR A 80 21.791 -0.060 2.025 1.00 0.00 O ATOM 1074 CB TYR A 80 21.197 -2.327 -0.224 1.00 0.00 C ATOM 1075 CG TYR A 80 21.152 -3.730 -0.787 1.00 0.00 C ATOM 1076 CD1 TYR A 80 22.037 -4.129 -1.782 1.00 0.00 C ATOM 1077 CD2 TYR A 80 20.224 -4.656 -0.326 1.00 0.00 C ATOM 1078 CE1 TYR A 80 21.999 -5.409 -2.300 1.00 0.00 C ATOM 1079 CE2 TYR A 80 20.181 -5.938 -0.837 1.00 0.00 C ATOM 1080 CZ TYR A 80 21.070 -6.310 -1.824 1.00 0.00 C ATOM 1081 OH TYR A 80 21.028 -7.586 -2.337 1.00 0.00 O ATOM 0 H TYR A 80 20.843 -2.384 2.525 1.00 0.00 H new ATOM 0 HA TYR A 80 23.130 -2.635 0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.200 -2.051 0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.463 -1.633 -1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 80 22.767 -3.426 -2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 80 19.525 -4.368 0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 80 22.693 -5.702 -3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 80 19.455 -6.646 -0.466 1.00 0.00 H new ATOM 0 HH TYR A 80 20.495 -8.159 -1.746 1.00 0.00 H new ATOM 1091 N LYS A 81 23.401 -0.118 0.456 1.00 0.00 N ATOM 1092 CA LYS A 81 23.746 1.291 0.599 1.00 0.00 C ATOM 1093 C LYS A 81 22.829 2.165 -0.250 1.00 0.00 C ATOM 1094 O LYS A 81 22.055 1.661 -1.064 1.00 0.00 O ATOM 1095 CB LYS A 81 25.205 1.523 0.199 1.00 0.00 C ATOM 1096 CG LYS A 81 25.462 1.350 -1.288 1.00 0.00 C ATOM 1097 CD LYS A 81 26.907 0.969 -1.564 1.00 0.00 C ATOM 1098 CE LYS A 81 27.095 0.495 -2.997 1.00 0.00 C ATOM 1099 NZ LYS A 81 27.499 -0.937 -3.059 1.00 0.00 N ATOM 0 H LYS A 81 23.952 -0.618 -0.242 1.00 0.00 H new ATOM 0 HA LYS A 81 23.614 1.567 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 81 25.499 2.530 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 81 25.839 0.830 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 81 24.800 0.581 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.223 2.277 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 81 27.553 1.827 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 81 27.214 0.181 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 81 26.166 0.635 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.853 1.108 -3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 27.617 -1.222 -4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.398 -1.066 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 26.764 -1.524 -2.615 1.00 0.00 H new ATOM 1113 N ILE A 82 22.922 3.476 -0.055 1.00 0.00 N ATOM 1114 CA ILE A 82 22.103 4.420 -0.805 1.00 0.00 C ATOM 1115 C ILE A 82 22.950 5.229 -1.781 1.00 0.00 C ATOM 1116 O ILE A 82 23.649 6.162 -1.387 1.00 0.00 O ATOM 1117 CB ILE A 82 21.356 5.386 0.133 1.00 0.00 C ATOM 1118 CG1 ILE A 82 20.469 4.605 1.105 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.525 6.372 -0.675 1.00 0.00 C ATOM 1120 CD1 ILE A 82 21.186 4.178 2.367 1.00 0.00 C ATOM 0 H ILE A 82 23.557 3.909 0.616 1.00 0.00 H new ATOM 0 HA ILE A 82 21.374 3.832 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 82 22.090 5.947 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 82 19.610 5.220 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.081 3.720 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.003 7.048 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.179 6.948 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.797 5.827 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.497 3.630 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 82 22.028 3.537 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 82 21.550 5.060 2.895 1.00 0.00 H new ATOM 1132 N SER A 83 22.881 4.866 -3.058 1.00 0.00 N ATOM 1133 CA SER A 83 23.643 5.557 -4.091 1.00 0.00 C ATOM 1134 C SER A 83 23.227 5.084 -5.481 1.00 0.00 C ATOM 1135 O SER A 83 22.269 4.325 -5.631 1.00 0.00 O ATOM 1136 CB SER A 83 25.142 5.326 -3.890 1.00 0.00 C ATOM 1137 OG SER A 83 25.554 4.104 -4.478 1.00 0.00 O ATOM 0 H SER A 83 22.305 4.097 -3.402 1.00 0.00 H new ATOM 0 HA SER A 83 23.433 6.623 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.702 6.151 -4.329 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.372 5.316 -2.825 1.00 0.00 H new ATOM 0 HG SER A 83 26.314 3.740 -3.977 1.00 0.00 H new ATOM 1143 N THR A 84 23.955 5.538 -6.497 1.00 0.00 N ATOM 1144 CA THR A 84 23.662 5.164 -7.874 1.00 0.00 C ATOM 1145 C THR A 84 24.227 3.787 -8.202 1.00 0.00 C ATOM 1146 O THR A 84 24.076 3.291 -9.319 1.00 0.00 O ATOM 1147 CB THR A 84 24.234 6.191 -8.869 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.550 6.586 -8.464 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.337 7.417 -8.958 1.00 0.00 C ATOM 0 H THR A 84 24.752 6.166 -6.391 1.00 0.00 H new ATOM 0 HA THR A 84 22.577 5.141 -7.971 1.00 0.00 H new ATOM 0 HB THR A 84 24.282 5.723 -9.852 1.00 0.00 H new ATOM 0 HG1 THR A 84 25.907 7.238 -9.103 1.00 0.00 H new ATOM 0 HG21 THR A 84 23.762 8.128 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.344 7.118 -9.295 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.261 7.885 -7.976 1.00 0.00 H new ATOM 1157 N THR A 85 24.879 3.171 -7.221 1.00 0.00 N ATOM 1158 CA THR A 85 25.468 1.851 -7.405 1.00 0.00 C ATOM 1159 C THR A 85 24.835 0.831 -6.465 1.00 0.00 C ATOM 1160 O THR A 85 25.526 -0.008 -5.886 1.00 0.00 O ATOM 1161 CB THR A 85 26.989 1.876 -7.168 1.00 0.00 C ATOM 1162 OG1 THR A 85 27.273 2.367 -5.854 1.00 0.00 O ATOM 1163 CG2 THR A 85 27.684 2.749 -8.202 1.00 0.00 C ATOM 0 H THR A 85 25.012 3.566 -6.290 1.00 0.00 H new ATOM 0 HA THR A 85 25.274 1.560 -8.437 1.00 0.00 H new ATOM 0 HB THR A 85 27.365 0.857 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 85 26.494 2.851 -5.510 1.00 0.00 H new ATOM 0 HG21 THR A 85 28.758 2.751 -8.014 1.00 0.00 H new ATOM 0 HG22 THR A 85 27.491 2.355 -9.200 1.00 0.00 H new ATOM 0 HG23 THR A 85 27.302 3.768 -8.134 1.00 0.00 H new ATOM 1171 N THR A 86 23.516 0.907 -6.316 1.00 0.00 N ATOM 1172 CA THR A 86 22.791 -0.009 -5.446 1.00 0.00 C ATOM 1173 C THR A 86 21.721 -0.772 -6.219 1.00 0.00 C ATOM 1174 O THR A 86 20.933 -0.180 -6.954 1.00 0.00 O ATOM 1175 CB THR A 86 22.126 0.738 -4.274 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.128 1.307 -3.423 1.00 0.00 O ATOM 1177 CG2 THR A 86 21.241 -0.200 -3.467 1.00 0.00 C ATOM 0 H THR A 86 22.928 1.595 -6.787 1.00 0.00 H new ATOM 0 HA THR A 86 23.522 -0.714 -5.051 1.00 0.00 H new ATOM 0 HB THR A 86 21.505 1.534 -4.685 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.698 1.755 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.782 0.350 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 86 20.461 -0.608 -4.110 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.844 -1.015 -3.066 1.00 0.00 H new ATOM 1185 N ASN A 87 21.701 -2.090 -6.048 1.00 0.00 N ATOM 1186 CA ASN A 87 20.727 -2.934 -6.731 1.00 0.00 C ATOM 1187 C ASN A 87 19.732 -3.529 -5.738 1.00 0.00 C ATOM 1188 O ASN A 87 19.992 -4.567 -5.129 1.00 0.00 O ATOM 1189 CB ASN A 87 21.438 -4.055 -7.491 1.00 0.00 C ATOM 1190 CG ASN A 87 20.503 -4.808 -8.418 1.00 0.00 C ATOM 1191 OD1 ASN A 87 19.307 -4.522 -8.478 1.00 0.00 O ATOM 1192 ND2 ASN A 87 21.046 -5.776 -9.147 1.00 0.00 N ATOM 0 H ASN A 87 22.347 -2.596 -5.443 1.00 0.00 H new ATOM 0 HA ASN A 87 20.179 -2.314 -7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 87 22.259 -3.633 -8.071 1.00 0.00 H new ATOM 0 HB3 ASN A 87 21.877 -4.752 -6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 87 20.467 -6.317 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.042 -5.979 -9.065 1.00 0.00 H new ATOM 1199 N CYS A 88 18.592 -2.864 -5.582 1.00 0.00 N ATOM 1200 CA CYS A 88 17.558 -3.325 -4.664 1.00 0.00 C ATOM 1201 C CYS A 88 16.769 -4.482 -5.271 1.00 0.00 C ATOM 1202 O CYS A 88 15.909 -5.071 -4.618 1.00 0.00 O ATOM 1203 CB CYS A 88 16.610 -2.177 -4.312 1.00 0.00 C ATOM 1204 SG CYS A 88 17.118 -1.216 -2.850 1.00 0.00 S ATOM 0 H CYS A 88 18.361 -2.004 -6.080 1.00 0.00 H new ATOM 0 HA CYS A 88 18.045 -3.677 -3.755 1.00 0.00 H new ATOM 0 HB2 CYS A 88 16.536 -1.505 -5.167 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.613 -2.583 -4.139 1.00 0.00 H new ATOM 1209 N ASN A 89 17.068 -4.801 -6.526 1.00 0.00 N ATOM 1210 CA ASN A 89 16.387 -5.886 -7.222 1.00 0.00 C ATOM 1211 C ASN A 89 16.920 -7.242 -6.769 1.00 0.00 C ATOM 1212 O ASN A 89 16.246 -8.264 -6.902 1.00 0.00 O ATOM 1213 CB ASN A 89 16.561 -5.738 -8.735 1.00 0.00 C ATOM 1214 CG ASN A 89 15.574 -6.585 -9.516 1.00 0.00 C ATOM 1215 OD1 ASN A 89 14.454 -6.156 -9.794 1.00 0.00 O ATOM 1216 ND2 ASN A 89 15.988 -7.795 -9.874 1.00 0.00 N ATOM 0 H ASN A 89 17.778 -4.323 -7.082 1.00 0.00 H new ATOM 0 HA ASN A 89 15.326 -5.832 -6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.436 -4.691 -9.012 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.577 -6.021 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.369 -8.411 -10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.925 -8.109 -9.622 1.00 0.00 H new ATOM 1223 N THR A 90 18.136 -7.244 -6.230 1.00 0.00 N ATOM 1224 CA THR A 90 18.760 -8.473 -5.757 1.00 0.00 C ATOM 1225 C THR A 90 18.569 -8.644 -4.255 1.00 0.00 C ATOM 1226 O THR A 90 19.283 -9.413 -3.611 1.00 0.00 O ATOM 1227 CB THR A 90 20.267 -8.497 -6.077 1.00 0.00 C ATOM 1228 OG1 THR A 90 20.786 -7.163 -6.090 1.00 0.00 O ATOM 1229 CG2 THR A 90 20.524 -9.160 -7.422 1.00 0.00 C ATOM 0 H THR A 90 18.708 -6.408 -6.111 1.00 0.00 H new ATOM 0 HA THR A 90 18.272 -9.296 -6.279 1.00 0.00 H new ATOM 0 HB THR A 90 20.771 -9.075 -5.303 1.00 0.00 H new ATOM 0 HG1 THR A 90 21.745 -7.187 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 90 21.595 -9.165 -7.626 1.00 0.00 H new ATOM 0 HG22 THR A 90 20.154 -10.185 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.008 -8.605 -8.206 1.00 0.00 H new ATOM 1237 N VAL A 91 17.599 -7.923 -3.701 1.00 0.00 N ATOM 1238 CA VAL A 91 17.312 -7.996 -2.273 1.00 0.00 C ATOM 1239 C VAL A 91 16.544 -9.268 -1.932 1.00 0.00 C ATOM 1240 O VAL A 91 15.521 -9.573 -2.546 1.00 0.00 O ATOM 1241 CB VAL A 91 16.500 -6.776 -1.800 1.00 0.00 C ATOM 1242 CG1 VAL A 91 16.171 -6.894 -0.320 1.00 0.00 C ATOM 1243 CG2 VAL A 91 17.259 -5.489 -2.085 1.00 0.00 C ATOM 0 H VAL A 91 16.999 -7.282 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 91 18.272 -8.005 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 91 15.562 -6.749 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.597 -6.023 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.584 -7.797 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.095 -6.947 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.671 -4.637 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.213 -5.505 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 91 17.438 -5.402 -3.157 1.00 0.00 H new ATOM 1253 N LYS A 92 17.042 -10.008 -0.947 1.00 0.00 N ATOM 1254 CA LYS A 92 16.402 -11.247 -0.521 1.00 0.00 C ATOM 1255 C LYS A 92 15.443 -10.993 0.637 1.00 0.00 C ATOM 1256 O LYS A 92 15.868 -10.739 1.765 1.00 0.00 O ATOM 1257 CB LYS A 92 17.458 -12.274 -0.107 1.00 0.00 C ATOM 1258 CG LYS A 92 17.964 -13.125 -1.259 1.00 0.00 C ATOM 1259 CD LYS A 92 19.469 -13.326 -1.185 1.00 0.00 C ATOM 1260 CE LYS A 92 20.203 -12.396 -2.138 1.00 0.00 C ATOM 1261 NZ LYS A 92 21.509 -12.965 -2.573 1.00 0.00 N ATOM 0 H LYS A 92 17.888 -9.771 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 92 15.832 -11.641 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 92 18.301 -11.753 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.038 -12.926 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.465 -14.094 -1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.706 -12.649 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 92 19.811 -13.148 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.711 -14.361 -1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.580 -12.207 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.370 -11.435 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 21.978 -12.301 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.113 -13.122 -1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 21.348 -13.870 -3.060 1.00 0.00 H new ATOM 1275 N PHE A 93 14.147 -11.065 0.352 1.00 0.00 N ATOM 1276 CA PHE A 93 13.127 -10.843 1.371 1.00 0.00 C ATOM 1277 C PHE A 93 13.358 -9.519 2.093 1.00 0.00 C ATOM 1278 O PHE A 93 12.506 -9.058 2.852 1.00 0.00 O ATOM 1279 CB PHE A 93 13.125 -11.994 2.380 1.00 0.00 C ATOM 1280 CG PHE A 93 12.210 -13.123 2.000 1.00 0.00 C ATOM 1281 CD1 PHE A 93 12.557 -14.002 0.986 1.00 0.00 C ATOM 1282 CD2 PHE A 93 11.004 -13.306 2.656 1.00 0.00 C ATOM 1283 CE1 PHE A 93 11.717 -15.041 0.634 1.00 0.00 C ATOM 1284 CE2 PHE A 93 10.160 -14.344 2.309 1.00 0.00 C ATOM 1285 CZ PHE A 93 10.518 -15.213 1.297 1.00 0.00 C ATOM 0 H PHE A 93 13.778 -11.275 -0.575 1.00 0.00 H new ATOM 0 HA PHE A 93 12.157 -10.802 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 93 14.140 -12.378 2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.829 -11.610 3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.494 -13.873 0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.720 -12.629 3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.998 -15.718 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.222 -14.475 2.828 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.861 -16.026 1.025 1.00 0.00 H new TER 1295 PHE A 93